==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-MAR-12 4E4F . COMPND 2 MOLECULE: MANNONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PECTOBACTERIUM CAROTOVORUM SUBSP. CARO . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 1536 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1050 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 72 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 454 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 7 10 7 0 0 1 7 4 0 9 3 0 0 0 0 4 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 16 11 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 6 4 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 12 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A S 0 0 110 0, 0.0 2,-0.9 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 92.9 13.3 10.8 25.3 2 1 A M - 0 0 15 23,-0.0 59,-1.9 24,-0.0 60,-0.1 -0.767 360.0-148.9 -96.9 100.7 13.1 8.4 22.4 3 2 A K B -A 60 0A 82 -2,-0.9 23,-2.3 57,-0.2 2,-0.4 -0.274 18.9-108.0 -71.9 152.9 10.8 9.7 19.7 4 3 A I E +B 25 0B 2 55,-2.4 54,-2.6 52,-0.4 21,-0.3 -0.669 33.8 175.3 -81.6 126.8 8.7 7.5 17.4 5 4 A V E + 0 0 75 19,-3.1 2,-0.3 -2,-0.4 20,-0.2 0.747 67.6 13.7-103.0 -31.1 9.9 7.4 13.8 6 5 A S E -B 24 0B 28 18,-1.5 18,-2.3 50,-0.1 -1,-0.3 -0.995 47.9-171.4-145.7 151.0 7.6 4.8 12.4 7 6 A A E -B 23 0B 13 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.827 26.2-174.7-141.1 96.4 4.4 3.1 13.4 8 7 A E E -B 22 0B 67 14,-3.1 14,-3.1 -2,-0.3 2,-0.4 -0.727 16.6-149.7-107.9 147.2 3.6 0.3 10.9 9 8 A V E -B 21 0B 20 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.932 12.6-171.2-114.2 130.8 0.7 -2.1 10.5 10 9 A F E -B 20 0B 37 10,-2.7 10,-2.7 -2,-0.4 2,-0.5 -0.968 9.5-161.3-121.1 139.5 1.0 -5.6 9.1 11 10 A V E +B 19 0B 47 -2,-0.4 358,-0.4 8,-0.2 2,-0.3 -0.942 23.4 164.7-119.3 107.6 -1.8 -8.0 8.1 12 11 A T E -B 18 0B 2 6,-1.7 6,-2.9 -2,-0.5 358,-0.1 -0.894 27.3-158.6-123.2 155.8 -0.6 -11.7 7.9 13 12 A C + 0 0 9 354,-1.4 2,-2.4 351,-0.4 4,-0.2 -0.399 20.4 163.3-133.8 62.2 -2.5 -15.0 7.8 14 13 A P S S- 0 0 0 0, 0.0 321,-0.1 0, 0.0 315,-0.1 -0.359 95.9 -31.5 -74.9 61.9 -0.2 -17.9 8.8 15 14 A G S S+ 0 0 27 -2,-2.4 2,-0.3 316,-0.1 -2,-0.1 -0.215 144.4 14.0 112.2 -38.6 -3.1 -20.3 9.4 16 15 A R S S- 0 0 9 284,-0.1 2,-0.2 -4,-0.0 -4,-0.0 -0.962 96.8 -75.8-158.1 166.4 -5.4 -17.5 10.4 17 16 A N + 0 0 2 -2,-0.3 2,-0.3 353,-0.2 -4,-0.2 -0.482 44.0 174.2 -74.5 132.6 -5.5 -13.7 10.3 18 17 A F E -B 12 0B 0 -6,-2.9 -6,-1.7 -2,-0.2 2,-0.4 -0.973 18.4-152.4-128.5 148.7 -3.4 -11.5 12.6 19 18 A V E -B 11 0B 0 -2,-0.3 16,-2.3 -8,-0.2 17,-0.5 -0.994 18.8-170.0-120.2 128.6 -2.9 -7.7 12.7 20 19 A T E -BC 10 34B 0 -10,-2.7 -10,-2.7 -2,-0.4 2,-0.4 -0.944 13.2-153.1-124.5 137.5 0.4 -6.5 14.1 21 20 A L E -BC 9 33B 0 12,-3.1 12,-2.0 -2,-0.4 2,-0.5 -0.914 9.8-167.0-107.5 133.6 1.7 -3.0 15.0 22 21 A K E -BC 8 32B 39 -14,-3.1 -14,-3.1 -2,-0.4 2,-0.4 -0.975 1.9-170.3-122.8 120.8 5.4 -2.2 14.9 23 22 A I E -BC 7 31B 0 8,-2.8 8,-2.7 -2,-0.5 2,-0.4 -0.880 2.9-167.5-108.1 139.5 6.7 1.0 16.5 24 23 A T E -BC 6 30B 21 -18,-2.3 -19,-3.1 -2,-0.4 -18,-1.5 -0.996 7.7-149.0-128.8 130.9 10.2 2.1 16.0 25 24 A T E > -B 4 0B 2 4,-3.4 3,-1.8 -2,-0.4 -21,-0.2 -0.478 31.9-107.6 -91.1 168.3 12.0 4.8 17.9 26 25 A D T 3 S+ 0 0 93 -23,-2.3 -22,-0.1 1,-0.3 -1,-0.1 0.723 122.3 59.1 -66.5 -21.5 14.8 7.1 16.6 27 26 A S T 3 S- 0 0 73 -24,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.374 123.3-108.4 -86.4 2.8 17.2 5.1 18.8 28 27 A G S < S+ 0 0 49 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.364 70.5 145.3 87.7 -7.2 16.1 2.0 16.8 29 28 A L - 0 0 50 -5,-0.1 -4,-3.4 1,-0.0 2,-0.3 -0.418 33.2-157.1 -60.5 136.6 14.2 0.4 19.7 30 29 A T E -C 24 0B 46 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.915 9.6-162.9-118.0 149.4 11.1 -1.4 18.3 31 30 A G E -C 23 0B 0 -8,-2.7 -8,-2.8 -2,-0.3 2,-0.4 -0.996 6.8-151.1-130.7 137.9 7.9 -2.4 20.0 32 31 A L E -C 22 0B 11 -2,-0.4 2,-0.3 60,-0.2 64,-0.2 -0.847 14.0-179.0-107.6 145.6 5.3 -5.0 18.8 33 32 A G E -C 21 0B 0 -12,-2.0 -12,-3.1 -2,-0.4 2,-0.3 -0.997 22.2-131.2-145.2 137.9 1.6 -5.0 19.5 34 33 A D E +C 20 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 58,-0.2 -0.639 25.7 167.6 -86.0 144.6 -1.3 -7.2 18.7 35 34 A A + 0 0 0 -16,-2.3 2,-0.3 -2,-0.3 -15,-0.2 0.137 22.3 146.8-141.7 16.3 -4.4 -5.7 17.2 36 35 A T - 0 0 0 -17,-0.5 2,-0.5 49,-0.1 5,-0.1 -0.440 21.4-179.9 -68.2 124.7 -6.3 -8.8 16.0 37 36 A L > - 0 0 2 -2,-0.3 3,-2.7 265,-0.0 7,-0.1 -0.917 35.5-122.7-122.7 98.2 -10.1 -8.6 16.2 38 37 A N T 3 S+ 0 0 1 -2,-0.5 1195,-0.2 1,-0.3 336,-0.2 -0.124 88.9 2.2 -54.9 123.1 -11.3 -11.9 14.9 39 38 A G T 3 S+ 0 0 3 333,-0.2 -1,-0.3 334,-0.1 1193,-0.0 0.402 133.0 57.7 84.7 -4.1 -13.7 -11.6 12.0 40 39 A R <> + 0 0 12 -3,-2.7 4,-0.6 333,-0.0 -2,-0.2 -0.107 63.3 135.0-145.2 42.3 -13.3 -7.8 11.9 41 40 A E H >> + 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.835 61.1 60.1 -62.6 -38.5 -9.6 -7.4 11.5 42 41 A L H 3> S+ 0 0 28 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.803 93.6 60.3 -78.4 -29.5 -9.4 -4.7 8.8 43 42 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.847 108.2 48.8 -62.0 -27.0 -11.2 -1.9 10.5 44 43 A V H S+ 0 0 13 -4,-2.6 4,-2.3 2,-0.2 5,-0.6 0.857 106.9 57.6 -64.3 -40.4 -7.4 1.1 9.2 47 46 A Y H X>S+ 0 0 3 -4,-2.0 5,-2.5 -5,-0.2 4,-0.8 0.928 119.2 33.9 -58.8 -43.4 -8.0 2.7 12.6 48 47 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 3,-0.2 3,-0.3 0.991 123.6 41.1 -68.6 -70.3 -4.2 2.4 13.1 49 48 A N H <5S+ 0 0 78 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.866 125.8 34.0 -46.4 -49.5 -2.8 2.9 9.6 50 49 A D H <5S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.724 136.2 6.2 -86.5 -25.2 -5.2 5.7 8.7 51 50 A H T X>> -A 3 0A 28 -57,-0.2 3,-1.7 1,-0.1 -57,-0.2 -0.695 24.2-149.1 -79.3 117.3 8.0 10.6 22.9 61 60 A A T 3 S+ 0 0 0 -59,-1.9 37,-0.2 -2,-0.6 -1,-0.1 0.606 91.3 72.6 -64.3 -9.4 7.5 6.8 23.2 62 61 A H T 3 S+ 0 0 70 1,-0.2 2,-1.9 -60,-0.1 3,-0.3 0.738 76.3 80.3 -74.8 -25.1 8.1 7.2 27.0 63 62 A Q <> + 0 0 86 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 -0.448 50.3 153.0 -85.5 62.0 4.7 8.9 27.5 64 63 A I H > S+ 0 0 7 -2,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.914 73.5 46.1 -55.8 -45.5 2.7 5.6 27.5 65 64 A E H > S+ 0 0 77 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.887 111.2 48.4 -71.9 -42.9 -0.0 7.2 29.6 66 65 A D H > S+ 0 0 23 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.918 114.2 49.0 -63.9 -39.2 -0.4 10.5 27.8 67 66 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.927 110.7 49.4 -64.5 -44.9 -0.6 8.5 24.6 68 67 A W H X S+ 0 0 30 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.967 117.2 41.3 -56.8 -53.7 -3.2 6.1 26.0 69 68 A Q H X>S+ 0 0 41 -4,-2.9 4,-2.5 1,-0.2 5,-0.9 0.903 109.9 59.5 -59.5 -43.6 -5.3 9.0 27.2 70 69 A Y H X5S+ 0 0 6 -4,-3.2 4,-0.9 -5,-0.2 -1,-0.2 0.892 116.0 32.4 -56.3 -44.2 -4.7 11.0 24.0 71 70 A F H X5S+ 0 0 2 -4,-2.3 4,-1.3 3,-0.2 -1,-0.2 0.820 118.0 53.9 -85.0 -30.2 -6.3 8.3 21.8 72 71 A Y H <5S+ 0 0 11 -4,-2.5 7,-0.2 -5,-0.3 -2,-0.2 0.984 127.4 20.1 -64.9 -56.4 -8.9 7.1 24.3 73 72 A K H ><5S+ 0 0 40 -4,-2.5 3,-1.8 -5,-0.2 1470,-0.3 0.832 118.9 64.3 -80.8 -35.2 -10.4 10.4 25.0 74 73 A G H 3< - 0 0 3 1156,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.285 69.6 -69.5 100.0 167.0 -15.6 -0.3 21.6 81 80 A P H > S+ 0 0 7 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.879 129.0 40.0 -66.7 -42.1 -14.0 -3.3 20.0 82 81 A V H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.979 118.1 47.7 -73.0 -53.1 -12.2 -1.6 17.0 83 82 A T H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 115.3 43.7 -50.8 -49.5 -11.1 1.4 19.0 84 83 A M H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 191,-0.3 0.826 108.5 57.7 -75.5 -31.1 -9.8 -0.5 22.0 85 84 A S H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.902 111.3 43.9 -60.7 -40.5 -8.0 -3.1 19.8 86 85 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.941 115.0 47.1 -68.6 -49.5 -6.1 -0.2 18.2 87 86 A I H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.880 112.6 51.3 -59.6 -37.8 -5.4 1.6 21.4 88 87 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 184,-0.3 5,-0.3 0.881 104.0 56.7 -69.9 -39.1 -4.2 -1.7 23.0 89 88 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 183,-0.2 -1,-0.2 0.974 111.0 43.8 -56.2 -52.1 -1.9 -2.5 20.1 90 89 A V H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.904 112.1 53.8 -63.8 -39.4 -0.1 0.7 20.7 91 90 A D H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.941 110.0 43.6 -59.6 -53.0 -0.0 0.4 24.5 92 91 A M H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -60,-0.2 0.817 113.7 54.7 -68.1 -23.7 1.6 -3.1 24.6 93 92 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.865 107.3 48.6 -73.3 -37.7 4.0 -1.9 22.0 94 93 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.821 111.5 50.0 -70.9 -30.9 5.0 1.1 24.0 95 94 A W H X S+ 0 0 32 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.857 106.3 56.0 -74.3 -37.9 5.5 -1.2 27.1 96 95 A D H X S+ 0 0 0 -4,-1.9 4,-2.2 -64,-0.2 -2,-0.2 0.972 111.6 44.3 -48.8 -58.2 7.6 -3.5 24.9 97 96 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.893 112.1 51.5 -55.6 -47.9 9.8 -0.5 24.2 98 97 A K H X S+ 0 0 48 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.900 110.1 47.7 -61.9 -43.1 9.9 0.7 27.8 99 98 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.6 0.911 112.2 50.8 -66.6 -40.0 11.0 -2.6 29.2 100 99 A K H ><5S+ 0 0 48 -4,-2.2 3,-1.8 -5,-0.3 -2,-0.2 0.972 109.5 49.9 -57.5 -54.7 13.7 -2.8 26.5 101 100 A A H 3<5S+ 0 0 49 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.902 112.8 47.1 -46.9 -44.7 14.9 0.7 27.4 102 101 A A H 3<5S- 0 0 42 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.642 110.6-130.2 -71.9 -12.7 14.9 -0.6 31.0 103 102 A N T <<5 + 0 0 123 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.954 69.2 114.6 55.0 52.4 16.8 -3.6 29.8 104 103 A M S > -d 354 0C 13 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.560 47.1-112.6 -66.6 143.2 11.6 -8.4 30.9 106 105 A L H >> S+ 0 0 0 248,-2.3 4,-1.2 1,-0.3 3,-1.0 0.784 110.9 68.1 -53.7 -35.1 8.3 -6.5 31.2 107 106 A Y H 3>>S+ 0 0 16 1,-0.3 5,-2.0 247,-0.2 4,-0.6 0.862 95.5 58.3 -57.4 -30.5 7.0 -8.3 34.3 108 107 A Q H X45S+ 0 0 85 -3,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.869 102.3 52.7 -66.3 -37.0 9.8 -6.6 36.2 109 108 A L H <<5S+ 0 0 55 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.772 104.4 57.1 -68.4 -24.8 8.4 -3.2 35.2 110 109 A L H 3<5S- 0 0 9 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.591 138.4 -73.2 -83.2 -12.3 4.9 -4.2 36.5 111 110 A G T <<5S- 0 0 63 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.2 0.395 76.6 -87.1 132.6 4.4 6.2 -4.9 40.0 112 111 A G < - 0 0 9 -5,-2.0 2,-0.2 -6,-0.2 -4,-0.1 -0.198 68.4 -32.9 90.6 176.3 8.1 -8.2 39.6 113 112 A A - 0 0 56 1,-0.1 203,-0.3 -2,-0.1 202,-0.1 -0.482 39.1-179.8 -75.7 136.1 7.1 -11.8 39.7 114 113 A S S S+ 0 0 66 201,-3.6 2,-0.3 -2,-0.2 202,-0.2 0.546 74.6 23.6-107.5 -15.9 4.3 -12.9 42.0 115 114 A R S S- 0 0 60 200,-1.0 3,-0.1 1,-0.0 -1,-0.1 -0.853 73.1-121.7-140.2 174.4 4.5 -16.6 41.1 116 115 A T S S- 0 0 140 -2,-0.3 2,-0.3 1,-0.2 199,-0.1 0.624 93.3 -1.1 -93.8 -15.8 7.1 -19.0 39.6 117 116 A G S S- 0 0 10 197,-0.1 2,-0.6 198,-0.1 -1,-0.2 -0.965 72.3-107.2-164.1 171.3 4.9 -19.9 36.6 118 117 A V E -E 347 0D 0 229,-2.5 229,-1.8 -2,-0.3 2,-0.2 -0.916 29.2-134.9-118.1 107.9 1.5 -19.2 35.0 119 118 A M E -E 346 0D 17 -2,-0.6 204,-1.7 227,-0.2 2,-0.3 -0.413 30.0-173.1 -63.1 127.2 -1.1 -22.0 35.2 120 119 A V E -g 323 0E 0 225,-1.9 25,-0.5 202,-0.2 26,-0.5 -0.817 14.2-142.3-117.9 160.6 -2.8 -22.4 31.8 121 120 A Y E -g 324 0E 0 202,-1.9 204,-2.3 -2,-0.3 2,-0.2 -0.944 10.6-153.0-122.2 149.6 -5.8 -24.5 30.6 122 121 A C E -h 147 0E 6 24,-1.2 26,-2.6 -2,-0.4 2,-0.3 -0.639 22.5-103.9-111.2 171.7 -6.2 -26.3 27.3 123 122 A H E -h 148 0E 37 202,-0.2 2,-0.3 -2,-0.2 26,-0.1 -0.738 27.0-164.4 -98.9 142.8 -9.3 -27.2 25.3 124 123 A T E +h 149 0E 1 24,-1.9 26,-0.6 -2,-0.3 2,-0.3 -0.932 16.6 171.2-121.5 151.0 -10.7 -30.7 25.1 125 124 A T + 0 0 84 -2,-0.3 10,-0.3 6,-0.2 2,-0.3 -0.981 14.8 135.1-157.6 166.5 -13.2 -31.9 22.5 126 125 A G - 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0 0 2 -6,-0.6 -20,-0.2 -5,-0.2 3,-0.1 -0.950 52.6-162.3-137.4 157.6 -40.4 -13.1 35.0 648 282 B D S S+ 0 0 6 -22,-2.9 28,-2.4 -2,-0.3 2,-0.4 0.611 82.0 37.8-110.1 -20.7 -39.1 -14.9 31.9 649 283 B Y E -cd 627 676L 4 -23,-1.6 -21,-1.8 26,-0.2 2,-0.5 -0.998 63.2-152.0-138.2 131.9 -42.2 -14.5 29.7 650 284 B I E -cd 628 677L 2 26,-2.4 28,-2.5 -2,-0.4 -21,-0.2 -0.897 8.8-167.9-101.9 127.0 -44.6 -11.6 29.3 651 285 B R + 0 0 0 -23,-2.9 29,-1.8 -2,-0.5 -22,-0.2 0.197 34.3 137.1-106.2 17.1 -48.1 -12.7 28.2 652 286 B T - 0 0 2 -24,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.212 40.4-141.6 -63.3 157.1 -49.7 -9.5 27.2 653 287 B T > - 0 0 2 -21,-0.4 4,-2.3 -24,-0.2 6,-0.4 -0.838 21.8-114.2-127.2 159.3 -51.8 -9.4 24.0 654 288 B I T 4>S+ 0 0 2 -2,-0.3 5,-1.8 1,-0.2 4,-0.3 0.887 114.4 45.3 -53.0 -44.3 -52.6 -7.3 21.0 655 289 B T T 45S+ 0 0 0 1,-0.2 -179,-0.3 3,-0.1 -178,-0.2 0.832 122.9 30.3 -75.4 -32.7 -56.3 -6.9 22.1 656 290 B H T 45S+ 0 0 4 1,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.685 115.9 51.2-103.2 -16.7 -55.8 -6.1 25.8 657 291 B A T <5S- 0 0 3 -4,-2.3 9,-0.1 -184,-0.1 -1,-0.1 0.028 124.9 -69.2-120.4 24.2 -52.5 -4.3 26.1 658 292 B G T >5 - 0 0 0 -186,-0.4 4,-1.8 -4,-0.3 3,-0.3 0.615 69.6-101.6 108.9 17.0 -52.6 -1.5 23.5 659 293 B G H > S+ 0 0 0 -184,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 139.9 53.9 -58.8 -42.5 -49.5 -3.4 17.8 661 295 B T H > S+ 0 0 3 -3,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.927 115.1 37.4 -62.8 -49.0 -48.3 -0.0 19.0 662 296 B G H X S+ 0 0 7 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.908 115.2 52.9 -70.0 -43.6 -48.3 -0.9 22.7 663 297 B M H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.830 104.6 56.4 -64.6 -33.6 -47.2 -4.5 22.3 664 298 B R H X S+ 0 0 10 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.950 110.3 45.0 -60.8 -47.6 -44.1 -3.4 20.3 665 299 B R H X S+ 0 0 38 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.899 113.6 49.6 -66.7 -40.7 -43.1 -1.1 23.2 666 300 B I H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.943 113.7 45.3 -60.5 -48.5 -43.8 -3.8 25.8 667 301 B A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.874 112.0 51.2 -66.8 -39.5 -41.8 -6.4 24.0 668 302 B D H X S+ 0 0 10 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.867 111.4 47.8 -65.6 -38.8 -38.9 -4.1 23.2 669 303 B F H >X S+ 0 0 9 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.927 110.1 52.8 -66.1 -45.8 -38.7 -3.1 26.9 670 304 B A H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-1.5 0.860 99.7 64.0 -56.0 -37.6 -38.8 -6.8 27.9 671 305 B S H ><5S+ 0 0 42 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.791 89.9 65.1 -62.2 -30.4 -35.9 -7.6 25.6 672 306 B L H <<5S+ 0 0 20 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.765 109.7 40.0 -59.9 -25.8 -33.5 -5.4 27.5 673 307 B Y T <<5S- 0 0 12 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.226 120.1-107.2-111.0 11.5 -34.0 -7.8 30.4 674 308 B Q T < 5 + 0 0 38 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.782 69.1 150.1 64.8 29.8 -34.0 -11.0 28.3 675 309 B V < - 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0 0 0 -4,-1.1 -1,-0.1 -3,-0.1 -29,-0.1 -0.994 47.3-153.7-148.2 152.9 -29.9 21.5 40.2 1396 257 D V + 0 0 2 -2,-0.3 -423,-0.2 -31,-0.1 -1,-0.1 0.319 62.5 117.7-104.0 4.0 -33.2 22.0 38.3 1397 258 D T S S- 0 0 0 1,-0.1 -23,-0.1 -424,-0.0 -21,-0.1 -0.624 75.5-110.6 -66.6 123.0 -31.4 23.0 35.1 1398 259 D P - 0 0 17 0, 0.0 -22,-2.5 0, 0.0 2,-0.4 -0.156 30.1-138.8 -61.2 151.5 -32.4 20.3 32.5 1399 260 D I E -j 1376 0a 0 -24,-0.2 22,-3.2 -3,-0.0 23,-1.8 -0.923 18.9-178.4-118.9 136.9 -29.7 17.9 31.3 1400 261 D A E +jk13771422a 0 -24,-2.1 -22,-2.2 -2,-0.4 2,-0.3 -0.931 15.0 151.5-126.3 149.8 -29.1 16.6 27.8 1401 262 D V E + k 01423a 3 21,-1.4 23,-2.6 -2,-0.3 24,-0.3 -0.957 24.9 86.6-164.3 158.5 -26.4 14.1 26.8 1402 263 D G > + 0 0 0 -2,-0.3 3,-1.7 21,-0.2 24,-0.2 0.419 36.8 121.6 130.6 -0.2 -25.7 11.4 24.3 1403 264 D E T 3 S+ 0 0 11 1,-0.3 23,-0.2 22,-0.2 26,-0.0 0.842 89.1 47.5 -57.1 -32.8 -24.1 12.6 21.0 1404 265 D V T 3 S+ 0 0 25 21,-0.1 -1,-0.3 -1327,-0.0 -1326,-0.2 0.446 92.0 107.1 -88.5 0.6 -21.2 10.3 21.7 1405 266 D F < - 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0 0 1 -6,-0.7 -20,-0.2 -5,-0.1 3,-0.1 -0.955 54.7-159.7-139.2 155.3 -31.4 13.4 32.2 1421 282 D D S S+ 0 0 8 -22,-3.2 28,-2.6 -2,-0.3 2,-0.4 0.704 81.4 34.3-105.5 -27.5 -34.1 15.3 30.4 1422 283 D Y E -kl14001449a 4 -23,-1.8 -21,-1.4 26,-0.2 2,-0.6 -0.998 62.9-149.2-136.5 136.3 -33.0 14.8 26.7 1423 284 D I E -kl14011450a 1 26,-2.7 28,-2.3 -2,-0.4 -21,-0.2 -0.911 9.1-170.1-105.3 122.1 -31.3 11.9 24.9 1424 285 D R + 0 0 0 -23,-2.6 29,-1.8 -2,-0.6 -22,-0.2 0.147 33.3 138.9-103.3 19.5 -29.2 13.1 22.0 1425 286 D T - 0 0 1 -24,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.248 41.3-139.8 -60.2 154.7 -28.4 9.8 20.4 1426 287 D T > - 0 0 2 -21,-0.4 4,-2.7 -24,-0.2 6,-0.4 -0.851 19.5-118.4-126.2 155.3 -28.5 9.8 16.5 1427 288 D I T 4>S+ 0 0 1 -2,-0.3 5,-1.8 1,-0.2 4,-0.3 0.840 113.8 48.4 -56.1 -37.4 -29.6 7.5 13.7 1428 289 D T T 45S+ 0 0 0 1,-0.1 -184,-0.3 3,-0.1 -1,-0.2 0.825 123.9 25.9 -78.2 -32.2 -26.1 7.2 12.4 1429 290 D H T 45S+ 0 0 4 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.670 117.3 54.0-105.6 -18.0 -24.3 6.4 15.6 1430 291 D A T <5S- 0 0 3 -4,-2.7 9,-0.2 -189,-0.1 -2,-0.1 0.050 125.0 -71.4-116.9 22.4 -26.9 4.7 17.9 1431 292 D G T >5 - 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